Interpretation of Quantitative Structure−Property and −Activity Relationships
ALAN ROY KATRITZKY, Ruslan Petrukhin, Douglas B. Tatham, Subhash C. Basak, Emilio Benfenati, Mati M. Karelson, Uko Maran · Journal of Chemical Information and Computer Sciences · 2001
The potential utility of data reduction methods (e.g. principal component analysis) for the analysis of matrices assembled from the related properties of large sets of compounds is discussed by reference to results obtained from solvent polarity scales, ongoing work on solubilities and sweetness properties, and proposed general treatments of toxicities and gas chromatographic retention indices.